You can:
Name | Mu-type opioid receptor |
---|---|
Species | Bos taurus (Bovine) |
Gene | OPRM1 |
Synonym | M-OR-1 MOR-1 |
Disease | N/A for non-human GPCRs |
Length | 401 |
Amino acid sequence | MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP |
UniProt | P79350 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3041 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3038194 |
---|---|
Molecular formula | C26H30N2O3S |
IUPAC name | (1R,2S,6R,14R,15R)-5-(cyclopropylmethyl)-19-[(1S)-1-isothiocyanatoethyl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol |
Molecular weight | 450.597 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50013761 (R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate |
Inchi Key | OUKDLWAAMCMZEI-TYYUINELSA-N |
Inchi ID | InChI=1S/C26H30N2O3S/c1-15(27-14-32)18-12-24-7-8-26(18,30-2)23-25(24)9-10-28(13-16-3-4-16)20(24)11-17-5-6-19(29)22(31-23)21(17)25/h5-8,15-16,18,20,23,29H,3-4,9-13H2,1-2H3/t15-,18?,20+,23+,24+,25-,26+/m0/s1 |
PubChem CID | 73346683 |
ChEMBL | CHEMBL3038194 |
IUPHAR | N/A |
BindingDB | 50013761 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.32 nM | PMID2165166 | BindingDB,ChEMBL |
Recovery | 23.0 % | PMID2165166 | ChEMBL |
Recovery | 51.0 % | PMID2165166 | ChEMBL |
Recovery | 52.0 % | PMID2165166 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417